Geometry & MOs

Info

ID:	33270
PubChem CID:	7885742
Reduced:	N2O5C23H34 (1)
Stoich.:	A2B5C23D34 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	-234.06
Dipole, Da:	6.46
IP(EA), eV:	-9.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloroanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N[C@@H]2CCC[C@@H]([C@H]2C)C

DOS

IR

Vibrations